Compound Detail
CHEMBL523850
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O=c1ccn([C@@H]2O[C@H](/C=C/P(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL523850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVUTWBNYZGKPJY-LNFZUNPYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
480.1
MW (Da)
-1.92
ALogP
11
HBA
7
HBD
255.1
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 2 | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpres... | 19419868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19419868 | 10.1016/j.bmcl.2009.04.027 | P2Y purinoceptor 2 | 1 |
| 19419868 | 10.1016/j.bmcl.2009.04.027 | P2Y purinoceptor 4 | 1 |
| 19419868 | 10.1016/j.bmcl.2009.04.027 | P2Y purinoceptor 6 | 1 |
Data from ChEMBL 36 via Core Engine